4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine

C18H18N4 — CID 14241253

IUPAC4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine
SMILESc1ccc(-c2cc(N3CCCCC3)nc3cnncc23)cc1
InChIInChI=1S/C18H18N4/c1-3-7-14(8-4-1)15-11-18(22-9-5-2-6-10-22)21-17-13-20-19-12-16(15)17/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChIKeyHBJNJQOONJNXKU-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.68
Rot. Bonds2

About 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine

4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine (PubChem CID 14241253) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine.

Molecular Properties

Compound Name4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine
PubChem CID14241253
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine
SMILESc1ccc(-c2cc(N3CCCCC3)nc3cnncc23)cc1
InChIInChI=1S/C18H18N4/c1-3-7-14(8-4-1)15-11-18(22-9-5-2-6-10-22)21-17-13-20-19-12-16(15)17/h1,3-4,7-8,11-13H,2,5-6,9-10H2
InChIKeyHBJNJQOONJNXKU-UHFFFAOYSA-N
XLogP3.68
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-4-phenyl-2-(4-phenylpiperazin-1-yl)quinoline
CID 3619803
4-(6-methyl-4-phenylquinolin-2-yl)morpholine
CID 39860405
1-(2-methyl-6-phenylpyrimidin-4-yl)azepane
CID 16876766
2-[4-(4-methylquinolin-2-yl)piperazin-1-yl]-3-pyrrolidin-1-ylquinoxaline
CID 108777261
2,3-diphenyl-6-piperidin-1-ylpyrimidin-4-one
CID 15632926
2-piperidin-1-ylquinoline-4-carboxamide
CID 22481833
15-piperidin-1-yl-14-azatetracyclo[7.7.1.02,7.013,17]heptadeca-1(16),2,4,6,9(17),10,12,14-octaen-8-one
CID 12517746
4-methyl-6-phenyl-2-piperidin-1-ylimidazo[1,5-a]pyrimidine
CID 13114271
N-methyl-1-(2-pyrrolidin-1-ylquinolin-4-yl)methanamine
CID 62286601
1-(5-phenylpyrazin-2-yl)azepane
CID 166601448
4-(3-phenyl-7-piperidin-1-yl-1,8-naphthyridin-2-yl)morpholine
CID 11079290
5-(azepan-1-yl)-2-phenyl-[1,3]oxazolo[5,4-b]pyridine
CID 71256258

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine?
The IUPAC name of 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine (CID 14241253) is 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine.
What is the SMILES notation for 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine?
The canonical SMILES for 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine is c1ccc(-c2cc(N3CCCCC3)nc3cnncc23)cc1.
What is the InChIKey of 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine?
The InChIKey is HBJNJQOONJNXKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-3-7-14(8-4-1)15-11-18(22-9-5-2-6-10-22)21-17-13-20-19-12-16(15)17/h1,3-4,7-8,11-13H,2,5-6,9-10H2.
What are the key properties of 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine?
4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine has a molecular weight of 290.37 g/mol, XLogP of 3.68, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-2-piperidin-1-ylpyrido[2,3-d]pyridazine is sourced from PubChem (CID 14241253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).